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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 1
Species	Homo sapiens (Human)
Gene	CCR1
Synonym	macrophage inflammatory protein-1 alpha receptor MIP-1alpha-R MIP-1alpha/RANTES MIP-1alphaR MIP1aR RANTES-R Macrophage inflammatory protein 1-alpha receptor LD78 receptor HM145 C-C CKR-1 CC CKR1 CC-CKR-1 CCR-1 CCR1 CD191 CKR1 CMKBR1 [ Show all ]
Disease	Autoimmune diabetes Rheumatoid arthritis Chronic obstructive pulmonary disease
Length	355
Amino acid sequence	METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
UniProt	P32246
Protein Data Bank	N/A
GPCR-HGmod model	P32246
3D structure model	This predicted structure model is from GPCR-EXP P32246.
BioLiP	N/A
Therapeutic Target Database	T16016
ChEMBL	CHEMBL2413
IUPHAR	58
DrugBank	N/A

Ligand

Name	4'-Chloro-2,2':6',2''-terpyridine
Molecular formula	C15H10ClN3
IUPAC name	4-chloro-2,6-dipyridin-2-ylpyridine
Molecular weight	267.716
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	4'-chloro-[2,2';6',2'']-terpyridine AS-19986 DTXSID00349885 MFCD00191930 ZB000809 4'-Chloro-2,2':6',2"-terpyridine 4'-Chloro-2,2':6',2''-terpyridine, 99% 4-chloro-2,6-bis(2-pyridinyl)pyridine ACMC-1CG8D C-16802 J-400573 SBB012477 ZLD0441 128143-89-5 4'-Chloro-alpha,alpha',alpha''-tripyridyl 4-chloro-2,6-di(2-pyridyl)pyridine AK135157 CS-W004586 KS-00001KND TR-022957 4'-Chloro-2,2',6',2''-Terpyridine 4'-chloro-2,2':6',2''-terpy-ridine 4'-chloro-[2,2';6',2'']terpyridine A805791 AX8015759 EOS228 MolPort-001-769-401 ZINC27093 4'-chloro-2,2';6',2''-terpyridine 4-Chloro-2,6-bis(2-pyridyl)pyridine AHEMFMCEBIJRMU-UHFFFAOYSA-N KB-145255 SCHEMBL517337 ZX-AT017569 2,2':6',2''-Terpyridine,4'-chloro- 4'-Chloro-[2,2'6',2']Terpyridine 4-chloro-2,6-dipyridin-2-ylpyridine AKOS015891546 CTK8C5880 MCULE-4261236661 Z3119 4'-Chloro-2,2'6'2''-Terpyridine 4-chloranyl-2,6-dipyridin-2-yl-pyridine AC1LDIRH BDBM50401354 FT-0617991 OR6782 zlchem 975 4'-chloro-2.2':6'.2''-terpyridine 4-chloro-2,6-bis(pyridin-2-yl)pyridine AJ-08457 CHEMBL2205805 KS-00000X34 ST069343 4'-Chloro-2,2' : 6',2"-terpyridine [ Show all ]
Inchi Key	AHEMFMCEBIJRMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
PubChem CID	667748
ChEMBL	CHEMBL2205805
IUPHAR	N/A
BindingDB	50401354
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1200.0 nM	PMID22957890	BindingDB,ChEMBL
EC50	1258.93 nM	PMID22957890	BindingDB,ChEMBL
FC	5.7 -	PMID22957890	ChEMBL
Ratio EC50	28.0 -	PMID22957890	ChEMBL

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